4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde

C15H14ClN3O3 — CID 175396656

IUPAC4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde
SMILESO=CN1CCC(C(=O)c2nnc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C15H14ClN3O3/c16-12-3-1-2-11(8-12)14-17-18-15(22-14)13(21)10-4-6-19(9-20)7-5-10/h1-3,8-10H,4-7H2
InChIKeyJRKVELNDQMLSCE-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.44
Rot. Bonds4

About 4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde

4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde (PubChem CID 175396656) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde
PubChem CID175396656
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde
SMILESO=CN1CCC(C(=O)c2nnc(-c3cccc(Cl)c3)o2)CC1
InChIInChI=1S/C15H14ClN3O3/c16-12-3-1-2-11(8-12)14-17-18-15(22-14)13(21)10-4-6-19(9-20)7-5-10/h1-3,8-10H,4-7H2
InChIKeyJRKVELNDQMLSCE-UHFFFAOYSA-N
XLogP2.44
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110391480
[1-(5-chloro-1-methylindole-2-carbonyl)piperidin-4-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
CID 172523879
1-[4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 145287275
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391904
5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole-2-carboxamide
CID 110391475
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 2155789
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 861507
(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391484
5-(3-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391457
2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913168
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391442

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde?
The IUPAC name of 4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde (CID 175396656) is 4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde is O=CN1CCC(C(=O)c2nnc(-c3cccc(Cl)c3)o2)CC1.
What is the InChIKey of 4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde?
The InChIKey is JRKVELNDQMLSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-12-3-1-2-11(8-12)14-17-18-15(22-14)13(21)10-4-6-19(9-20)7-5-10/h1-3,8-10H,4-7H2.
What are the key properties of 4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde?
4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde has a molecular weight of 319.75 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 175396656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).